Geometry & MOs

Info

ID:	151870
PubChem CID:	56310692
Reduced:	SN4O5C23H30 (1)
Stoich.:	AB4C5D23E30 (1)
Weight, g/mol:	455.180484
ΔH_f, kcal/mol:	-157.65
Dipole, Da:	5.07
IP(EA), eV:	-8.66(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations